The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.

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Form Chemical Formula Molecular Weight Melting Point (oC)Base C13H19BrN2O2 315 Not Determined

di-HCl C13H19BrN2O2 . 2HCl 388 Not Determined

Br

NO

O

CH3

CH3

NH

1. GENERAL INFORMATION

IUPAC Name: 1-(4-bromo-2,5-dimethoxybenzyl)piperazineCAS#: Not Available

Synonyms: 4-bromo-2,5-dimethoxybenzylpiperazine;

4-bromo-2,5-dimethoxy-1-benzylpiperazine

Source: DEA Reference Material Collection

Appearance: White powder (di-HCl)

UVmax(nm): Not Determined

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA

The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.

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3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Method NMR D2O

Sample Preparation: Dilute analyte to ~10 mg/mL in D2O containing TSP for 0 ppm reference and maleicacid as quantitative internal standard.

Instrument: 400 MHz NMR spectrometerParameters:

Spectral width: at least containing -3 ppm through 13 ppm Pulse angle: 90o Delay between pulses: 45 seconds

Chemical Shift (ppm)7 6 5 4 3 2

0

2

4

6

8

10

86211

TSP

Maleic Acid HDO

1H NMR: 2C-B BZP di-HCl Lot # H-0416

Chemical Shift (ppm)7.4

0

1

2

3

11

Chemical Shift (ppm)4.5

862

The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.

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[x 104

]In

tens

ity

0.5

1.0

1.5

2.0

314

285

272

258

242

229

216

199

192

1711

49

135

120

105

8577

56

42

EI+

3.2 Gas Chromatography/Mass Spectrometry

Sample Preparation: Dilute analyte ~1 mg/mL base extracted into chloroform.

Instrument: Agilent gas chromatograph operated in split mode with MS detector

Column: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25mm

Carrier Gas: Helium at 1 mL/min

Temperatures: Injector: 280oC

MSD transfer line: 280oC MS Source: 230oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 300oC at 12oC/min 3) Hold final temperature for 9.0 minInjection Parameters:

Split Ratio = 20:1, 1mL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scanRetention Time:

13.502 minEI Mass Spectrum: 2C-B BZP di-HCl Lot # H-0416

The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.

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3.3 INFRARED SPECTROSCOPY (FTIR)Insrument: FTIR with diamond ATR attachment (3 bounce)Scan Parameters: Number of scans: 32

Number of background scans: 32Resolution: 4 cm-1

Sample gain: 8Aperture: 150

Wavenumber (cm-1)3500 3000 2500 2000 1500

%Tr

ansm

ittan

ce

20

30

40

50

60

70

3414

3014 2958

2712 2295

1606 158314971441

13941292

12151186

10781049

1024957

864795

727712

629577 436

Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700

%Tr

ansm

ittan

ce

20

30

40

50

60

70

1583

1497

14411394

13401304

12921269

12151186

10781049

1024976

957

889864

795

727712

663629

577

496

436

FTIR ATR (Diamond, 3 Bounce): 2C-B BZP di-HCl Lot # H-0416

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http://en.wikipedia.org/wiki/2C-B-BZP

4. ADDITIONAL RESOURCES

Wikipedia